1,2,3,6-Tetrahydro-4-(3-methoxyphenyl)-1-methylpyridine
Basic information
- CAS
73224-22-3- Standard SMILES
COc1cccc(C2=CCN(C)CC2)c1- InChIKey
GGKBOUJJRHFZRI-UHFFFAOYSA-N- Molecular formula
- C13H17NO
- Average molar mass
- 203.28 g/mol
- Monoisotopic mass
- 203.13101417
Overview
RN given from first source; RN not in Chemline 9/86; structure given in first source
Names & identifiers
- Preferred name
- 1,2,3,6-Tetrahydro-4-(3-methoxyphenyl)-1-methylpyridine
- IUPAC
- 4-(3-methoxyphenyl)-1-methyl-3,6-dihydro-2H-pyridine
- English name
- 1-methyl-4-(3-methoxyphenyl)-1,2,3,6-tetrahydropyridine
- Molecular formula
- C13H17NO
- Molecular weight
- 203.28
Names & synonyms
1-Methyl-4-(3-methoxyphenyl)-1,2,3,6-tetrahydropyridinem-Methoxy-mptp73224-22-3DTXSID502234641,2,3,6-tetrahydro-4-(3-methoxyphenyl)-1-methylpyridineRefChem:906632DTXCID501459554-(3-methoxyphenyl)-1-methyl-3,6-dihydro-2H-pyridineCHEMBL36377SCHEMBL5542022SCHEMBL55420274-(3-methoxyphenyl)-1-methyl-1,2,3,6-tetrahydropyridine
Show more names
GGKBOUJJRHFZRI-UHFFFAOYSA-N1-methyl-4-(3-methoxyphenyl)-1,2,5,6-tetrahydropyridinePyridine, 1,2,3,6-tetrahydro-4-(3-methoxyphenyl)-1-methyl-
Database identifiers
- CAS
73224-22-3- PubChem CID
- 155778
- DTXSID
DTXSID50223464- ChEMBL
CHEMBL36377- Nikkaji
- J518.609I
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 237
Physicochemical properties
- Boiling point
- 120 · 120-128 °C(Press: 0.1 Torr)
- Density
- 1.031 · 1.031±0.06 g/cm3(Predicted)
- pka
- 8.7 · 8.70±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Suppliers
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Related reactions
11 records
Compound notes
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